Wednesday, May 27, 2015

Multi-agency team

  • USEPA
    • Great Lakes National Program Office, GLRI
    • Mid-Continent Ecology Division, Duluth, MN
      • Tony Schroeder, Dan Villeneuve, Brett Blackwell, Gary Ankley
    • Ecosystems Research Division, Athens, GA
    • National Center for Computational Toxicolgy
  • Fish and Wildlife Service
  • NOAA Mussel Watch
  • U.S. Army Corps of Engineers
  • USGS
    • WI, OH, NY, MN, and MI Water Science Centers
    • Columbia Environmental Research Center
    • Upper Mississippi Environmental Science Center
  • St. Cloud University

Overview

  • Sampled Great Lakes Tributaries
    • 2010-2013: Multiple trace organic compounds
    • Sampling methods: Water samples and passive samplers
  • Evaluating adverse biological effect potential based on chemistry results
    • Sites with greatest potential
    • Chemicals with greatest potential
  • Different methods for biological effect evaluation
    • ToxCast-based evaluation
    • Water quality guideline-based evaluation
    • Comparison of these two methods

Study sites: Tributaries

Water quality data collected

Water Samples: Organic Waste Compounds Passive Samples
PAHs (6) PAHs (33)
Insecticides (6) Organic Waste Compounds (53)
Herbicides (7) Organochlorine Pesticides (32)
Fire retardants (4) PBDEs (5)
Pharmaceuticals (3) Pharmaceuticals (31)
Plasticizers (5) PCB (sum of total)
Detergent metabolites (8)
Antimicrobial disinfectants (3)
Solvents (2)
Fuels (4)
Dye/pigments (1)
Flavors & fragrances (10)
Sterols (4)
Misc (3)

Screening Endpoints Used in Analysis

  • ToxCast: (EPA NCCT)
    • "High throughput screening assays"
      • In-vitro Exposures to living cells or isolated protiens
      • Screens for potential adverse biological effects
      • Much is focused on gaining information on biological pathways
    • 1860 compounds
    • 821 endpoints
    • AC50 used for this analysis (concentration at which activity is 50% of its maximum)
    • Exposure Activity Ratio (EAR) = concentration / AC50
  • Established Water quality guidelines
    • Water sample analysis (not complete for passive samplers yet)
      • USEPA
      • Canadian Council of Ministers of the Environment
      • USGS
      • Literature

Matches of Screening Endpoints

  • ToxCast
    • Water samples
      • 39 compounds of 64 total
      • Herbicide, Pharmaceuticals, Flavor/fragrance, PAH, Plasticizer, Insecticide, Other, Solvent, Fire Retardant, Antioxidant, Detergent Metabolites, Fuel, Antimicrobial Disinfectant
    • Passive samplers
      • 51 compounds of 162 total
      • PAHs, Pharmaceuticals, Other, Detergent metabolites, Flavor/Fragrance, Herbicide, Insecticide, OC Pesticides, Plasticizer, Solvent, Antimicrobial disinfectant
  • Water Quality Guidelines
    • Water samples
      • 24 compounds of 64 total
      • PAH, Herbicide, Insecticide, Fuel, Plasticizer, Solvent, Other

ToxCast: Water Sample Chemical Summary

ToxCast: Water Sample Site Summary

ToxCast: Water Samples Map

Color: Maximum EAR
Size: Number of chemicals with hits (0-19)

ToxCast: Passive Data Map

Color: Maximum EAR
Size: Number of chemicals with hits (0-3)

Water Quality Guidelines Results

Color: Maximum EAR
Size: Number of chemicals with hits (0-10)

ToxCast Regression Tree Model: Number of chemicals with hits

Comparing ToxCast to WQGs: Number of chemicals with hits

Comparisons

ToxCast ToxCast WQG
Water Samples Passive Data Water Samples
Chemical Class Chemical Class Chemical Class
Metolachlor Herbicide Fluorene PAH Fluoranthene PAH
Atrazine Herbicide Aspirin Pharmaceuticals Pyrene PAH
Caffeine Pharmaceuticals Erythromycin Pharmaceuticals Benzo[a]pyrene PAH
Benzophenone Flavor/fragrance Naphthalene PAH Atrazine Herbicide
Naphthalene PAH Gemfibrozil Pharmaceuticals Anthracene PAH
Diethyl phthalate Plasticizer 1,4-Dichlorobenzene Other Carbaryl Insecticide
Cotinine Pharmaceuticals 4-Octylphenol Detergent metabolites Metolachlor Herbicide
Triphenyl phosphate Plasticizer Acenaphthene PAH Phenanthrene PAH
Carbaryl Insecticide Acenaphthylene PAH Dichlorvos Insecticide
Bromacil Herbicide Acetaminophen Pharmaceuticals Naphthalene PAH
1,4-Dichlorobenzene Other Acetophenone Flavor/Fragrance Pentachlorophenol Herbicide
Isophorone Solvent Anthracene PAH 1-Methylnaphthalene Fuel

Comparisons

ToxCast ToxCast WQG
Water Samples Passive Data Water Samples
Chemical Class Chemical Class Chemical Class
Metolachlor Herbicide Fluorene PAH Fluoranthene PAH
Atrazine Herbicide Aspirin Pharmaceuticals Pyrene PAH
Caffeine Pharmaceuticals Erythromycin Pharmaceuticals Benzo[a]pyrene PAH
Benzophenone Flavor/fragrance Naphthalene PAH Atrazine Herbicide
Naphthalene PAH Gemfibrozil Pharmaceuticals Anthracene PAH
Diethyl phthalate Plasticizer 1,4-Dichlorobenzene Other Carbaryl Insecticide
Cotinine Pharmaceuticals 4-Octylphenol Detergent metabolites Metolachlor Herbicide
Triphenyl phosphate Plasticizer Acenaphthene PAH Phenanthrene PAH
Carbaryl Insecticide Acenaphthylene PAH Dichlorvos Insecticide
Bromacil Herbicide Acetaminophen Pharmaceuticals Naphthalene PAH
1,4-Dichlorobenzene Other Acetophenone Flavor/Fragrance Pentachlorophenol Herbicide
Isophorone Solvent Anthracene PAH 1-Methylnaphthalene Fuel

Comparisons

ToxCast ToxCast WQG
Water Samples Passive Data Water Samples
Chemical Class Chemical Class Chemical Class
Metolachlor Herbicide Fluorene PAH Fluoranthene PAH
Atrazine Herbicide Aspirin Pharmaceuticals Pyrene PAH
Caffeine Pharmaceuticals Erythromycin Pharmaceuticals Benzo[a]pyrene PAH
Benzophenone Flavor/fragrance Naphthalene PAH Atrazine Herbicide
Naphthalene PAH Gemfibrozil Pharmaceuticals Anthracene PAH
Diethyl phthalate Plasticizer 1,4-Dichlorobenzene Other Carbaryl Insecticide
Cotinine Pharmaceuticals 4-Octylphenol Detergent metabolites Metolachlor Herbicide
Triphenyl phosphate Plasticizer Acenaphthene PAH Phenanthrene PAH
Carbaryl Insecticide Acenaphthylene PAH Dichlorvos Insecticide
Bromacil Herbicide Acetaminophen Pharmaceuticals Naphthalene PAH
1,4-Dichlorobenzene Other Acetophenone Flavor/Fragrance Pentachlorophenol Herbicide
Isophorone Solvent Anthracene PAH 1-Methylnaphthalene Fuel

Challenges with this work

  • Detection levels
    • ToxCast: Some compounds have adverse effects lower than analytical reporting limits
    • Water samples
      • Dichlorvos (min EAR = 36)
      • Metolachlor (min EAR = 14)
      • Cotinine (min EAR = 7)
      • Naphthalene (min EAR = 1.7)
      • dl-Menthol (min EAR = 1.4)
  • Compounds included
    • The numbers are increasing, but many are still not included
      • ToxCast and water quality guidelines/literature
  • Interpretation of ToxCast in the environmental setting

Summary

  • Multiple contaminant classes could be influential
  • The classes that appear to be of largest concern include:
    • PAHs
    • Pesticides
    • Pharmaceuticals
  • Adverse effect potential exists in urban and agricultural sites
  • Combining multiple evaluation methods can provide a more comprehensive assessment
  • Much work yet to be done to better understand how to use these methods effectively
    • Mixtures, endocrine disruptors, influential factors (season, hydrology…)
    • Direct ToxCast analysis of environmental samples

Questions

Work Remaining For This Analysis

  • ToxCast
    • Chemical mixtures
  • Passive samplers
    • Compile established water quality guidelines and compare
  • Endocrine disruptors
    • Comparison of estrogenic equivalents to ToxCast results
  • Factors that may influence biological effects
    • Seasonality
    • Hydrologic condition
    • Land use
  • ToxCast direct environmental sample analysis
    • Comparison with analysis using water chemistry data alone with ToxCast

Passive Sample: Chemical Summary

Passive Sample: Site Summary

ToxCast: Comparison of Water Sample and Passive Sample Results

Color: Maximum EAR
Size: Number of chemicals with hits

Traditional Benchmarks

Traditional Benchmarks: Site Summary